CID 16429153

617697-04-8

Structural Information

Molecular Formula
C24H18N2O3S3
SMILES
CC1=C(C(N2C(=O)/C(=C\C3=CC=CS3)/SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C24H18N2O3S3/c1-15-20(23(28)29-14-16-7-3-2-4-8-16)21(18-10-6-12-31-18)26-22(27)19(32-24(26)25-15)13-17-9-5-11-30-17/h2-13,21H,14H2,1H3/b19-13+
InChIKey
ZGEJCILNXZEYNI-CPNJWEJPSA-N
Compound name
benzyl (2E)-7-methyl-3-oxo-5-thiophen-2-yl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.04794 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.05522 204.7
[M+Na]+ 501.03716 218.9
[M+NH4]+ 496.08176 212.7
[M+K]+ 517.01110 210.2
[M-H]- 477.04066 211.5
[M+Na-2H]- 499.02261 212.4
[M]+ 478.04739 210.1
[M]- 478.04849 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.